(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one

C15H20O2 — CID 5367769

IUPAC(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CCc1ccoc1
InChIInChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+
InChIKeyUFGQHNWFUWHNSS-WLRTZDKTSA-N
MW232.32 g/mol
LogP4.08
Rot. Bonds6

About (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one

(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one (PubChem CID 5367769) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one.

Molecular Properties

Compound Name(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one
PubChem CID5367769
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one
SMILESCC(C)=CC(=O)C/C(C)=C/CCc1ccoc1
InChIInChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+
InChIKeyUFGQHNWFUWHNSS-WLRTZDKTSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Ethylfuran
CID 18554
1-(3-Furyl)-4-methyl-1-pentanone
CID 68381
Egomaketone
CID 42978
2-Methyl-3(2-furyl)acrolein
CID 6210220
2-Phenyl-3-(2-furyl)prop-2-enal
CID 6435876
3-(5-Methyl-2-furyl)prop-2-enal
CID 11434978
Furfurylideneacetone
CID 212930
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
(2E)-1-(3-Furanyl)-4-methyl-2-penten-1-one
CID 5318556
2,3-Dimethylfuran
CID 34337
2-Furfurylidenebutyraldehyde
CID 6435826
Centipedic acid
CID 5466638

Frequently Asked Questions

What is the IUPAC name of (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one?
The IUPAC name of (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one (CID 5367769) is (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one.
What is the SMILES notation for (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one?
The canonical SMILES for (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one is CC(C)=CC(=O)C/C(C)=C/CCc1ccoc1.
What is the InChIKey of (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one?
The InChIKey is UFGQHNWFUWHNSS-WLRTZDKTSA-N. The full InChI is InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+.
What are the key properties of (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one?
(6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one has a molecular weight of 232.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-9-(furan-3-yl)-2,6-dimethylnona-2,6-dien-4-one is sourced from PubChem (CID 5367769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).